Synergistic Exclusive Discrimination Gating for CO2 Recognition using Flexible Porous Coordination Polymers with Narrow Soft Corrugated Channels
Ken-ichi Otake a, Yifan Gu a, Jia-jia Zheng a, Susumu Kitagawa a
a Institute for Integrated Cell-Material Sciences (WPI-iCeMS), Kyoto University, Nishikyo-ku, Kyoto 615-8510
Proceedings of Dynamic Materials, Crystals and Phenomena Conference (DynaMIC23)
Fribourg, Switzerland, 2023 March 22nd - 24th
Organizers: Jovana Milic and Simon Krause
Oral, Ken-ichi Otake, presentation 028
Publication date: 15th February 2023

Porous coordination polymers (PCPs) or metal-organic frameworks (MOFs) are a class of crystalline framework materials that are constructed from the coordination bonds of metal ions/clusters and organic linkers. Since their discovery of being porous, PCPs have been thoroughly investigated as promising adsorptive materials. Among them, structurally responsive PCPs, or flexible PCPs, often exhibit fascinating structural properties because they can have different interconvertible structures depending on external parameters. [1-2]

However, developing artificial porous systems that exhibit high molecular recognition performance is still a significant challenge. Achieving selective uptake of a specific component from a mixture of many similar species, regardless of their size and affinity, is a difficult task. Therefore, a porous platform that integrates multiple recognition mechanisms working cooperatively for highly efficient guest identification is desired. [3-4]

To address this challenge, we designed a flexible porous coordination polymer (PCP) that features a corrugated channel system. This system cooperatively responds only to target gas molecules by taking advantage of its stereochemical shape, location of binding sites, and structural softness. Compared to known molecule recognition strategies, including molecular sieving and functional interacting sites, the proposed intelligent host-responsive molecular recognition mechanism based on the narrow-corrugated channel structure brings unprecedented recognition efficiency. This study successfully demonstrates that unique molecule recognition performance can be achieved through the deliberate organization of pore geometry, structure softness, and binding sites at the molecular-level precision in a defined molecular structure.

In this symposium, the details of the syntheses, crystal structures, in situ X-ray investigations, as well as theoretical studies on the mechanism of exclusive sorption behaviors are discussed.

This work was supported by KAKENHI Grant-in-Aid for Scientific Research (S) (JP18H05262, JP22H05005) and (C) (JP22K05128) from the Japan Society of the Promotion of Science (JSPS).

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